8IJY
Synechococcus elongatus 6-4 photolyase with an 8-HDF as the antenna chromophore and a covalently linked FAD as the catalytic cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9798 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.116, 109.136, 95.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.710 - 2.380 |
R-factor | 0.15288 |
Rwork | 0.151 |
R-free | 0.18964 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.403 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.710 | 50.000 | 2.440 |
High resolution limit [Å] | 2.380 | 6.510 | 2.400 |
Rmerge | 0.148 | 0.100 | 0.472 |
Rmeas | 0.157 | 0.106 | 0.501 |
Rpim | 0.051 | 0.036 | 0.164 |
Number of reflections | 22021 | 1197 | 1085 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 99.9 | 99.7 | 99.9 |
Redundancy | 8.9 | 8.3 | 8.5 |
CC(1/2) | 0.993 | 0.990 | 0.944 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% (w/v) PEG 8000 , 100 mM Tris base/ Hydrochloric acid pH 8.5, 200 mM magnesium chloride |